SCHEMBL11053323

SCHEMBL11053323

C=CCOC(=O)OCC(CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.37
CASP1 P29466 8/20 0.35
CPA1 P15085 3/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP3A4 P08684 1/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11032783 0.85 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL11032059 0.80 FOLH1 (0.43) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL2446951 0.79 TDP1 (0.40) FOLH1CASP1CPA1GRIK1GRIK2
SCHEMBL7761817 0.77 TSHR (0.52) FOLH1CPA1GRIK1GRIK2CYP3A4
SCHEMBL10988160 0.76 FOLH1 (0.43) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL10996228 0.75 FOLH1 (0.39) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL10987590 0.75 FOLH1 (0.39) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL11034601 0.75 FOLH1 (0.36) FOLH1CPA1CPB1CPA3CPB2
Bicarbonate SCHEMBL27897261 0.74 CYP3A4 (0.45) CYP3A4TSHRALDH1A1HSD17B10TDP1
Bicarbonate SCHEMBL9658182 0.74 CYP3A4 (0.45) CYP3A4TSHRALDH1A1HSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499057-A USING 2,3-DIOXYCARBONYLPROPYL CARBONATES; HYDROMETALLURGY SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1985-02-12 US claimed
EP-0018259-B1 CARBONATES CARRYING CYCLIC CARBONATE GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE EXTRACTION OF METALS STARTING FROM AQUEOUS SOLUTIONS SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1982-12-08 EP claimed
US-4499057-A USING 2,3-DIOXYCARBONYLPROPYL CARBONATES; HYDROMETALLURGY SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1985-02-12 US disclosed
US-4423235-A EXTRACTION AGENTS FOR HYDROMETALLURGY SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1983-12-27 US disclosed